Acetic acid, cinnamyl ester
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
- IUPAC Standard InChIKey: WJSDHUCWMSHDCR-UHFFFAOYSA-N
- CAS Registry Number: 103-54-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 2-Propen-1-ol, 3-phenyl-, acetate; Cinnamyl alcohol, acetate; γ-Phenylallyl acetate; Cinnamyl acetate; 3-Phenyl-2-propenyl acetate; 3-Phenyl-2-propen-1-yl acetate; 3-Phenyl-2-propen-1-ol acetate; 1-Acetoxy-3-phenyl-2-propene; 2-Propen-1-ol, 3-phenyl-, 1-acetate; 3-Phenylallyl acetate; NSC 46109
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Normal alkane RI, polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-FFAP | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 50. | 60. | 60. |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 60. | 60. | 60. | 60. |
| Tend (C) | 250. | 180. | 250. | 220. | 220. |
| Heat rate (K/min) | 4. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 4. | 8. | 60. | 4. | 4. |
| Final hold (min) | 5. | 80. | |||
| I | 2142. | 2197. | 2098. | 2145. | 2145. |
| Reference | Osorio, Carriazo, et al., 2011 | Wei A. and Shibamoto T., 2007 | Fernandez, Lizzani-Cuvelier, et al., 2005 | Jiang and Kubota, 2004 | Jiang and Kubota, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | CP-Wax 52CB |
| Column length (m) | 60. | 60. | 50. |
| Carrier gas | Helium | He | H2 |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.22 |
| Tstart (C) | 50. | 50. | 50. |
| Tend (C) | 230. | 180. | 200. |
| Heat rate (K/min) | 5. | 2.5 | 2. |
| Initial hold (min) | 2. | 5. | 5. |
| Final hold (min) | |||
| I | 2150. | 2102. | 2156.6 |
| Reference | Paniandy, Chane-Ming, et al., 2000 | Stashenko, Torres, et al., 1995 | Chyau, Chen, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Osorio, Carriazo, et al., 2011
Osorio, C.; Carriazo, J.G.; Barbosa, H.,
Thermal and structural study of Guava (Psidium guajava L.) powders obtained by two dehydration methods,
Quim. Nova, 2011, 34, 4, 636-640, https://doi.org/10.1590/S0100-40422011000400016
. [all data]
Wei A. and Shibamoto T., 2007
Wei A.; Shibamoto T.,
Antioxidant activities and volatile constituents of various essential oils,
J. Agric. Food Chem., 2007, 55, 5, 1737-1742, https://doi.org/10.1021/jf062959x
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Chemical composition of the essential oils from Turkish and Honduras Styrax,
Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370
. [all data]
Jiang and Kubota, 2004
Jiang, L.; Kubota, K.,
Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.),
J. Agric. Food Chem., 2004, 52, 13, 4197-4203, https://doi.org/10.1021/jf030663a
. [all data]
Paniandy, Chane-Ming, et al., 2000
Paniandy, J.-C.; Chane-Ming, J.; Pierbattesti, J.-C.,
Chemical Composition of the Essential Oil and Headspace Solid-Phase Microextraction of the Guava Fruit (Psidium guajava L.),
J. Essent. Oil Res., 2000, 12, 153-158. [all data]
Stashenko, Torres, et al., 1995
Stashenko, E.E.; Torres, W.; Morales, J.R.M.,
A study of the compositional variation of the essential oil of ylang-ylang (Cananga odorata Hook Fil. et Thomson, forma genuina) during flower development,
J. Hi. Res. Chromatogr., 1995, 18, 2, 101-104, https://doi.org/10.1002/jhrc.1240180206
. [all data]
Chyau, Chen, et al., 1992
Chyau, C.-C.; Chen, S.-Y.; Wu, C.-M.,
Differences of volatile and nonvolatile constituents between mature and ripe guave (Psidium guajava Linn) fruits,
J. Agric. Food Chem., 1992, 40, 5, 846-849, https://doi.org/10.1021/jf00017a028
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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